3-(naphthalen-1-ylcarbamothioylsulfanyl)propane-1-sulfonic acid

Systemtic Name: 3-(naphthalen-1-ylcarbamothioylsulfanyl)propane-1-sulfonic acid Openeye Name: 3-(1-naphthylcarbamothioylsulfanyl)propane-1-sulfonic acid CAS Name: 3-[[(1-naphthalenylamino)-sulfanylidenemethyl]thio]-1-propanesulfonic acid IUPAC Name: 3-(naphthalen-1-ylcarbamothioylsulfanyl)propane-1-sulfonic acid Traditional Name: 3-(1-naphthylthiocarbamoylthio)propane-1-sulfonic acid Formula: C14H15NO3S3 MolecularWeight: 341.4688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)SCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)SCCCS(=O)(=O)O

InChI

InChI=1S/C14H15NO3S3/c16-21(17,18)10-4-9-20-14(19)15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,15,19)(H,16,17,18)